2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide

C15H25N3O — CID 107441753

IUPAC2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide
SMILESCC(C)C(CN)CNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)12(9-16)10-17-14-8-6-5-7-13(14)15(19)18(3)4/h5-8,11-12,17H,9-10,16H2,1-4H3
InChIKeyNEFGOIZWYRIHAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds6

About 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide

2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide (PubChem CID 107441753) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide
PubChem CID107441753
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide
SMILESCC(C)C(CN)CNc1ccccc1C(=O)N(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)12(9-16)10-17-14-8-6-5-7-13(14)15(19)18(3)4/h5-8,11-12,17H,9-10,16H2,1-4H3
InChIKeyNEFGOIZWYRIHAX-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N-[2-(dimethylamino)-2-oxoethyl]-2-(ethylamino)-N-methylbenzamide
CID 55176895
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide (CID 107441753) is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide is CC(C)C(CN)CNc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide?
The InChIKey is NEFGOIZWYRIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12(9-16)10-17-14-8-6-5-7-13(14)15(19)18(3)4/h5-8,11-12,17H,9-10,16H2,1-4H3.
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide?
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 107441753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).